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PUBCHEM-ZINC06414100

 MMsINC code: MMs03716041
Type: Neutral
Formula: C10H6F2O3
SMILES:   Fc1cc(ccc1F)C(=O)\C=C/C(O)=O
InChI:   InChI=1/C10H6F2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3-

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Potential Energy
Epot(MMFF94)=59.4725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.151 g/mol  logS: -2.78141  SlogP: 1.7883  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0153597  Sterimol/B1: 2.14409  Sterimol/B2: 2.43774  Sterimol/B3: 2.88431
  Sterimol/B4: 5.13881  Sterimol/L: 12.9983 
 
 Surface and Volume Properties
  Accessible surface: 373.347  Positive charged surface: 165.15  Negative charged surface: 208.198  Volume: 171.25
  Hydrophobic surface: 258.718  Hydrophilic surface: 114.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.